Vitas-M small molecule compound
methyl (2E)-2-(2-ethoxybenzylidene)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK811169
SMILES CCOc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccccc1OCC)/s2)C(=O)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H26N2O5S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O5S/c1-5-32-19-13-11-17(12-14-19)23-22(25(30)31-4)16(3)27-26-28(23)24(29)21(34-26)15-18-9-7-8-10-20(18)33-6-2/h7-15,23H,5-6H2,1-4H3/b21-15+InChIKey
FMMFOLGPIXQJBL-RCCKNPSSSA-NSynonyms
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=CC=C4OCC)S3)C)C(=O)OC
CCOc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccccc1OCC)s2)C(=O)OC
InChI=1SC26H26N2O5Sc153219131117(121419)2322(25(30)314)16(3)272628(23)24(29)21(3426)15189781020(18)3362h71523H56H214H3b2115+
methyl(2E)2(2ethoxybenzylidene)5(4ethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4ethoxyphenyl)2((2ethoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03933132
ZINC000005926996
ZINC000005927264
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